N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide

C15H24N4O3S — CID 86919646

IUPACN-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C15H24N4O3S/c1-13(18-8-10-19(11-9-18)23(16,21)22)15(20)17(2)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,16,21,22)
InChIKeyNSTURBPTHOLPDZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP-0.15
Rot. Bonds5

About N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide

N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide (PubChem CID 86919646) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide
PubChem CID86919646
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C15H24N4O3S/c1-13(18-8-10-19(11-9-18)23(16,21)22)15(20)17(2)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,16,21,22)
InChIKeyNSTURBPTHOLPDZ-UHFFFAOYSA-N
XLogP-0.15
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 8512379
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
CID 95610823
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-benzyl-N-methylpropanamide;hydrochloride
CID 120760688
(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30738921
N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110877728
(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzyl-N-methylpropanamide
CID 9356997
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
(2S)-N-benzyl-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 27125596
N-[(3-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61417366

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide (CID 86919646) is N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide is CC(C(=O)N(C)Cc1ccccc1)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide?
The InChIKey is NSTURBPTHOLPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-13(18-8-10-19(11-9-18)23(16,21)22)15(20)17(2)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,16,21,22).
What are the key properties of N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide?
N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide is sourced from PubChem (CID 86919646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).